MMsINC Database Search


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MMsINC code: MMs01031625

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₂

SMILES:

Clc1ccccc1OCC(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C20H17ClN2O2/c21-17-10-4-5-11-18(17)25-15-20(24)23(19-12-6-7-13-22-19)14-16-8-2-1-3-9-16/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.05 kcal/mol

Physical Properties
Molecular Weight: 352.821 g/mol	logS: -4.88101	SlogP: 4.6136	Reactive groups: 0

Topological Properties
Globularity: 0.0817955	Sterimol/B1: 2.291	Sterimol/B2: 3.33592	Sterimol/B3: 5.4373
Sterimol/B4: 8.59577	Sterimol/L: 15.4763

Surface and Volume Properties
Accessible surface: 593.431	Positive charged surface: 312.473	Negative charged surface: 280.958	Volume: 331
Hydrophobic surface: 550.694	Hydrophilic surface: 42.737

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.